1-(2-propoxyethyl)pyrrolidine-3,4-diol

C9H19NO3 — CID 106671973

IUPAC1-(2-propoxyethyl)pyrrolidine-3,4-diol
SMILESCCCOCCN1CC(O)C(O)C1
InChIInChI=1S/C9H19NO3/c1-2-4-13-5-3-10-6-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3
InChIKeyQGSXDTQIOFRMEY-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.55
Rot. Bonds5

About 1-(2-propoxyethyl)pyrrolidine-3,4-diol

1-(2-propoxyethyl)pyrrolidine-3,4-diol (PubChem CID 106671973) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(2-propoxyethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-propoxyethyl)pyrrolidine-3,4-diol
PubChem CID106671973
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name1-(2-propoxyethyl)pyrrolidine-3,4-diol
SMILESCCCOCCN1CC(O)C(O)C1
InChIInChI=1S/C9H19NO3/c1-2-4-13-5-3-10-6-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3
InChIKeyQGSXDTQIOFRMEY-UHFFFAOYSA-N
XLogP-0.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
3,5-dimethyl-1-(2-propoxyethyl)piperazine
CID 106455016
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
1-[1-(2-propoxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106454766
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3R,4S)-4-(4-fluorophenyl)-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 133115881
4-bromo-3-methyl-1-(2-propoxyethyl)piperidine
CID 106457883

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-propoxyethyl)pyrrolidine-3,4-diol (CID 106671973) is 1-(2-propoxyethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-propoxyethyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-propoxyethyl)pyrrolidine-3,4-diol is CCCOCCN1CC(O)C(O)C1.
What is the InChIKey of 1-(2-propoxyethyl)pyrrolidine-3,4-diol?
The InChIKey is QGSXDTQIOFRMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-4-13-5-3-10-6-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-(2-propoxyethyl)pyrrolidine-3,4-diol?
1-(2-propoxyethyl)pyrrolidine-3,4-diol has a molecular weight of 189.25 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106671973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).